6,6-dimethylbicyclo[3.1.0]hex-2-ene

C8H12 — CID 14147082

IUPAC6,6-dimethylbicyclo[3.1.0]hex-2-ene
SMILESCC1(C)C2C=CCC21
InChIInChI=1S/C8H12/c1-8(2)6-4-3-5-7(6)8/h3-4,6-7H,5H2,1-2H3
InChIKeySZMZDMNMDHJOOI-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.22
Rot. Bonds

About 6,6-dimethylbicyclo[3.1.0]hex-2-ene

6,6-dimethylbicyclo[3.1.0]hex-2-ene (PubChem CID 14147082) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 6,6-dimethylbicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name6,6-dimethylbicyclo[3.1.0]hex-2-ene
PubChem CID14147082
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name6,6-dimethylbicyclo[3.1.0]hex-2-ene
SMILESCC1(C)C2C=CCC21
InChIInChI=1S/C8H12/c1-8(2)6-4-3-5-7(6)8/h3-4,6-7H,5H2,1-2H3
InChIKeySZMZDMNMDHJOOI-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylbicyclo[3.1.0]hex-2-ene?
The IUPAC name of 6,6-dimethylbicyclo[3.1.0]hex-2-ene (CID 14147082) is 6,6-dimethylbicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for 6,6-dimethylbicyclo[3.1.0]hex-2-ene?
The canonical SMILES for 6,6-dimethylbicyclo[3.1.0]hex-2-ene is CC1(C)C2C=CCC21.
What is the InChIKey of 6,6-dimethylbicyclo[3.1.0]hex-2-ene?
The InChIKey is SZMZDMNMDHJOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-8(2)6-4-3-5-7(6)8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 6,6-dimethylbicyclo[3.1.0]hex-2-ene?
6,6-dimethylbicyclo[3.1.0]hex-2-ene has a molecular weight of 108.18 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylbicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 14147082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).